N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide--hydrogen chloride (1/1)
N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C066-3720 |
| Compound Name: | N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide--hydrogen chloride (1/1) |
| Molecular Weight: | 561.1 |
| Molecular Formula: | C30 H28 N4 O3 S |
| Salt: | HCl |
| Smiles: | COc1ccccc1Nc1c2CCCCc2nc2ccc(cc12)NC(CCN1C(Oc2ccccc12)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3999 |
| logD: | 5.3847 |
| logSw: | -5.6493 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.204 |
| InChI Key: | MXRHMVWMAQKOFB-UHFFFAOYSA-N |